Molecular Dynamics Simulation of Carbon Nanotube Grafted Polyimide Composites of Different Sizes

被引：0
|
作者：
Cao J. [1 ]
Zhang Y. [1 ]
Deng Y. [1 ]
Xu X. [1 ]
机构：
[1] School of Petrochemical Engineering, Liaoning Shihua University, Liaoning, Fushun
来源：
Cailiao Daobao/Materials Reports | 2022年 / 36卷 / 23期
关键词：
carbon nanotubes; glass transition temperature; molecular dynamics simulation; polyimide;
D O I：
10.11896/cldb.21060264
中图分类号：
学科分类号：
摘要：
In this paper，polyimide (PI)model and MWCNT/PI composite models were established by molecular simulation software Materials Studio，as well as MWCNT with different diameters and lengths . The effects of different sizes of MWCNT on mechanical properties and glass transition temperature (Tg)of MWCNT/PI composites were investigated. The results show that the young’s modulus and shear modulus of MWCNT/PI-1 composites are 24. 935 4 GPa and 7. 977 GPa，respectively，when the length of MWCNT is 10—20 μm and the diameter of MWCNT is 10—20 nm. When the MWCNT with the diameter of 10—20 nm and length over 50 μm was added，the mechanical properties of MWCNT/PI-7 composites increased most significantly，and the Young’s modulus and shear modulus of MWCNT/PI-7 composites were 26. 671 GPa and 9. 246 2 GPa，respectively. The results show that if the diameter or length of MWCNT is smaller，which means the aspect ratio increases，the interaction force between MWCNT and PI will be stronger，and the mechanical properties and glass transition temperature of PI composites will increase. © 2022 Cailiao Daobaoshe/ Materials Review. All rights reserved.
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